DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:39 UTC
Update Date	2025-03-21 18:37:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00116766
Frequency	22.5
Structure
Chemical Formula	C₇H₁₄N₂O₄
Molecular Mass	190.0954
SMILES	NCCCC(=O)NCC(O)C(=O)O
InChI Key	LBSPFVGHDLMYSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives alpha-hydroxy acid fatty amide monosaccharide carboxylic acid derivative saccharide organic oxide organonitrogen compound organopnictogen compound alcohol hydroxy acid carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid glycopeptide secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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